[dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane

C22H38SiSn — CID 14822976

IUPAC[dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane
SMILESC[Si](C)(C)C[Sn](c1ccccc1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/2C6H11.C6H5.C4H11Si.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4;/h2*1H,2-6H2;1-5H;1H2,2-4H3;
InChIKeyDIYRIHGJZPRAJD-UHFFFAOYSA-N
MW449.34 g/mol
LogP6.89
Rot. Bonds5

About [dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane

[dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane (PubChem CID 14822976) has the molecular formula C22H38SiSn and a molecular weight of 449.34 g/mol. Its IUPAC name is [dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane.

Molecular Properties

Compound Name[dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane
PubChem CID14822976
Molecular FormulaC22H38SiSn
Molecular Weight449.34 g/mol
Exact Mass450.18
IUPAC Name[dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane
SMILESC[Si](C)(C)C[Sn](c1ccccc1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/2C6H11.C6H5.C4H11Si.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4;/h2*1H,2-6H2;1-5H;1H2,2-4H3;
InChIKeyDIYRIHGJZPRAJD-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.34
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane?
The IUPAC name of [dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane (CID 14822976) is [dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane.
What is the SMILES notation for [dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane?
The canonical SMILES for [dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane is C[Si](C)(C)C[Sn](c1ccccc1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane?
The InChIKey is DIYRIHGJZPRAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11.C6H5.C4H11Si.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4;/h2*1H,2-6H2;1-5H;1H2,2-4H3;.
What are the key properties of [dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane?
[dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane has a molecular weight of 449.34 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dicyclohexyl(phenyl)stannyl]methyl-trimethylsilane is sourced from PubChem (CID 14822976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).